N-Benzylisatoic anhydride
TL;DR: N-Benzylisatoic anhydride (CAS 35717-98-7) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3,1-benzoxazine-2,4-dione
Also Known As: N-Benzylisatoic anhydride, 1-benzyl-3,1-benzoxazine-2,4-dione, 1-benzyl-1h-benzo[d][1,3]oxazine-2,4-dione, N-benzyl isatoic anhydride, 1531AE
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 35717-98-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)OC2=O |
| InChIKey | XZNZVRHSHRYPDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylisatoic anhydride (CAS 35717-98-7), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: 1-benzyl-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of N-Benzylisatoic anhydride
Property Insights of N-Benzylisatoic anhydride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylisatoic anhydride. With a topological polar surface area (TPSA) of 46.6 Ų, N-Benzylisatoic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylisatoic anhydride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzylisatoic anhydride?
The CAS number of N-Benzylisatoic anhydride is 35717-98-7.
What is the molecular formula of N-Benzylisatoic anhydride?
The molecular formula of N-Benzylisatoic anhydride is C15H11NO3.
What is the molecular weight of N-Benzylisatoic anhydride?
The molecular weight of N-Benzylisatoic anhydride is 253.07 g/mol.
Where can I buy N-Benzylisatoic anhydride?
You can request a quote for N-Benzylisatoic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylisatoic anhydride?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylisatoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.